element(s): ['Pt'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.949'] model name: MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pt'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]] ========================================= Step Time Energy fmax BFGS: 0 21:44:01 -23.049506 0.621903 BFGS: 1 21:44:01 -23.063896 0.456997 BFGS: 2 21:44:01 -23.079933 0.030353 BFGS: 3 21:44:01 -23.080000 0.001345 BFGS: 4 21:44:02 -23.080000 0.000004 BFGS: 5 21:44:02 -23.080000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.016873983348067e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pt', 'Pt', 'Pt', 'Pt'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.917371557709655, -6.748365879498878e-36, -1.3109546848088612e-34], [6.071928981914898e-35, 3.917371557709655, 2.5181195753142823e-21], [1.2914685594068218e-34, 2.518119575314017e-21, 3.917371557709655]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.01687398e-11 -3.01687398e-11 -3.01687398e-11 -1.82842111e-28 1.06890412e-40 3.32020295e-58] energy per atom = -5.77000000077481 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0